SCHEMBL10113221

SCHEMBL10113221

CC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc3ncccc3c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.58
GSK3B P49841 2/20 0.52
NPY5R Q15761 1/20 0.52
CHRM5 P08912 3/20 0.51
NPC1 O15118 3/20 0.50
POLB P06746 2/20 0.50
MEN1 O00255 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.50
OGA O60502 1/20 0.49
NAMPT P43490 1/20 0.46
RAB9A P51151 2/20 0.46
PABPC1 P11940 1/20 0.46
MAPK1 P28482 2/20 0.44
LMNA P02545 1/20 0.44
IRAK4 Q9NWZ3 1/20 0.44
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43
CDK5 Q00535 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13203772 1.00 EPHX2 (0.58) EPHX2GSK3BNPY5RCHRM5NPC1
SCHEMBL13203770 0.87 EPHX2 (0.58) EPHX2NPY5RNPC1POLBMAPT
SCHEMBL10113220 0.87 EPHX2 (0.58) EPHX2NPY5RNPC1POLBMAPT
SCHEMBL10114035 0.86 EPHX2 (0.56) EPHX2GSK3BCHRM5NPC1POLB
SCHEMBL10113218 0.84 NPY5R (0.50) EPHX2NPY5RNPC1POLBMEN1
SCHEMBL13203762 0.84 NPY5R (0.50) EPHX2NPY5RNPC1POLBMEN1
SCHEMBL10114221 0.82 EPHX2 (0.53) EPHX2GSK3BCHRM5NPC1POLB
SCHEMBL6084361 0.81 GSK3B (0.61) EPHX2GSK3BCHRM5NPC1POLB
SCHEMBL10114189 0.81 EIF2AK4 (0.46) EPHX2GSK3BNPY5RNPC1MEN1
SCHEMBL11936220 0.80 NR3C1 (0.42) EPHX2NPC1POLBMEN1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8115027-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2012-02-14 US disclosed
US-8115027-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2012-02-14 US disclosed
US-20110039802-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2011-02-17 US disclosed
US-20110039802-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2011-02-17 US disclosed
US-20100292500-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2010-11-18 US disclosed
US-20100292500-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2010-11-18 US disclosed
US-7781461-B2 NPY Y5 antagonist KAWANISHI YASUYUKI 2010-08-24 US disclosed
US-7265130-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2007-09-04 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R EPHX2 2527/4885GSK3B 2333/4885NPY5R 1/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R EPHX2 2306/4885GSK3B 2284/4885NPY5R 1/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.